N-piperidin-4-yl-N-propylcyclohex-3-ene-1-carboxamide

C15H26N2O — CID 60805911

IUPACN-piperidin-4-yl-N-propylcyclohex-3-ene-1-carboxamide
SMILESCCCN(C(=O)C1CC=CCC1)C1CCNCC1
InChIInChI=1S/C15H26N2O/c1-2-12-17(14-8-10-16-11-9-14)15(18)13-6-4-3-5-7-13/h3-4,13-14,16H,2,5-12H2,1H3
InChIKeyLGIXBTSFVZMRHO-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.33
Rot. Bonds4

About N-piperidin-4-yl-N-propylcyclohex-3-ene-1-carboxamide

N-piperidin-4-yl-N-propylcyclohex-3-ene-1-carboxamide (PubChem CID 60805911) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-piperidin-4-yl-N-propylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-piperidin-4-yl-N-propylcyclohex-3-ene-1-carboxamide
PubChem CID60805911
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-piperidin-4-yl-N-propylcyclohex-3-ene-1-carboxamide
SMILESCCCN(C(=O)C1CC=CCC1)C1CCNCC1
InChIInChI=1S/C15H26N2O/c1-2-12-17(14-8-10-16-11-9-14)15(18)13-6-4-3-5-7-13/h3-4,13-14,16H,2,5-12H2,1H3
InChIKeyLGIXBTSFVZMRHO-UHFFFAOYSA-N
XLogP2.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-propylcyclohex-3-ene-1-carboxamide
CID 95266358
6-[piperidin-4-yl(propyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 61403429
4-[piperidin-4-yl(propyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782800
N-cyclopentyl-N-ethylcyclohex-3-ene-1-carboxamide
CID 86926977
N-piperidin-4-yl-N-propyloxolane-3-carboxamide;hydrochloride
CID 119823621
2-methyl-N-piperidin-4-yl-N-propylcyclopropane-1-carboxamide
CID 60806583
(1S)-N-(cyclopropylmethyl)-N-propylcyclohex-3-ene-1-carboxamide
CID 94459978
(1R)-N-(cyclopropylmethyl)-N-propylcyclohex-3-ene-1-carboxamide
CID 94459977
N-(cyclopropylmethyl)-N-propylcyclohex-3-ene-1-carboxamide
CID 86911274
1,1-dioxo-N-piperidin-4-yl-N-propylthiolane-3-carboxamide;hydrochloride
CID 119826248
N-propyl-N-prop-2-ynylcyclohex-3-ene-1-carboxamide
CID 78970491
(1S)-N-(cyanomethyl)-N-propylcyclohex-3-ene-1-carboxamide
CID 125145424

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-N-propylcyclohex-3-ene-1-carboxamide?
The IUPAC name of N-piperidin-4-yl-N-propylcyclohex-3-ene-1-carboxamide (CID 60805911) is N-piperidin-4-yl-N-propylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-piperidin-4-yl-N-propylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-piperidin-4-yl-N-propylcyclohex-3-ene-1-carboxamide is CCCN(C(=O)C1CC=CCC1)C1CCNCC1.
What is the InChIKey of N-piperidin-4-yl-N-propylcyclohex-3-ene-1-carboxamide?
The InChIKey is LGIXBTSFVZMRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-2-12-17(14-8-10-16-11-9-14)15(18)13-6-4-3-5-7-13/h3-4,13-14,16H,2,5-12H2,1H3.
What are the key properties of N-piperidin-4-yl-N-propylcyclohex-3-ene-1-carboxamide?
N-piperidin-4-yl-N-propylcyclohex-3-ene-1-carboxamide has a molecular weight of 250.39 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-N-propylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 60805911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).